4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine

C21H18N2 — CID 21280661

IUPAC4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine
SMILESNc1cc(Cc2cc(N)cc3ccccc23)c2ccccc2c1
InChIInChI=1S/C21H18N2/c22-18-10-14-5-1-3-7-20(14)16(12-18)9-17-13-19(23)11-15-6-2-4-8-21(15)17/h1-8,10-13H,9,22-23H2
InChIKeyFNFTYDMCULGJTO-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.75
Rot. Bonds2

About 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine

4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine (PubChem CID 21280661) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine
PubChem CID21280661
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine
SMILESNc1cc(Cc2cc(N)cc3ccccc23)c2ccccc2c1
InChIInChI=1S/C21H18N2/c22-18-10-14-5-1-3-7-20(14)16(12-18)9-17-13-19(23)11-15-6-2-4-8-21(15)17/h1-8,10-13H,9,22-23H2
InChIKeyFNFTYDMCULGJTO-UHFFFAOYSA-N
XLogP4.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methylnaphthalen-2-amine
CID 144829259
CID 66760372
CID 66760372
4-ethoxynaphthalen-2-amine
CID 57115135
5-methyl-2-(phenanthren-9-ylmethyl)aniline
CID 154946620
3-[(3,4-dimethylnaphthalen-2-yl)methyl]-1,2-dimethylnaphthalene;methane
CID 160912845
azane;1-benzyl-3-methylnaphthalene
CID 174691048
9-ethylcarbazole;naphthalene-1,3-diamine
CID 175329016
naphtho[1,2-b]phenanthrene
CID 5889
naphthalen-1-amine;naphthalen-2-amine
CID 70377972
phenanthren-9-amine
CID 13695
2-(3-aminonaphthalen-1-yl)butanoic acid
CID 67115585
3-methyl-1-[(3-methylphenanthren-1-yl)methyl]phenanthrene
CID 158013989

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine?
The IUPAC name of 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine (CID 21280661) is 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine is Nc1cc(Cc2cc(N)cc3ccccc23)c2ccccc2c1.
What is the InChIKey of 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine?
The InChIKey is FNFTYDMCULGJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c22-18-10-14-5-1-3-7-20(14)16(12-18)9-17-13-19(23)11-15-6-2-4-8-21(15)17/h1-8,10-13H,9,22-23H2.
What are the key properties of 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine?
4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine has a molecular weight of 298.39 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 21280661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).